tert-butyl N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-(4-imidazol-1-ylcarbonylphenyl)carbamate

Systemtic Name: tert-butyl N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-(4-imidazol-1-ylcarbonylphenyl)carbamate Openeye Name: tert-butyl N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-[4-(imidazole-1-carbonyl)phenyl]carbamate CAS Name: N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-[4-[1-imidazolyl(oxo)methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-[4-(imidazole-1-carbonyl)phenyl]carbamate Traditional Name: N-[13-(4-chlorophenyl)tridec-12-ynyl]-N-[4-(imidazole-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C34H42ClN3O3 MolecularWeight: 576.16858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCCCCCCC#CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)N3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCCCCCCC#CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)N3C=CN=C3

InChI

InChI=1S/C34H42ClN3O3/c1-34(2,3)41-33(40)38(31-22-18-29(19-23-31)32(39)37-26-24-36-27-37)25-14-12-10-8-6-4-5-7-9-11-13-15-28-16-20-30(35)21-17-28/h16-24,26-27H,4-12,14,25H2,1-3H3